(5E)-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate

Systemtic Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzoxazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-thiazolin-3-ium-4-one tosylate Formula: C30H29N3O5S3 MolecularWeight: 607.76336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC1=CC3=[N+](C(=O)C(=C4N(C5=CC=CC=C5S4)C)S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2O/C1=C\C3=[N+](C(=O)/C(=C\4/N(C5=CC=CC=C5S4)C)/S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H22N3O2S2.C7H8O3S/c1-4-25-15-10-6-8-12-17(15)28-19(25)14-20-26(5-2)22(27)21(30-20)23-24(3)16-11-7-9-13-18(16)29-23;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b23-21+;